6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine

C8H13ClN4O — CID 171763680

IUPAC6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine
SMILESCO[C@H](C)CNc1nnc(Cl)c(C)n1
InChIInChI=1S/C8H13ClN4O/c1-5(14-3)4-10-8-11-6(2)7(9)12-13-8/h5H,4H2,1-3H3,(H,10,11,13)/t5-/m1/s1
InChIKeyLIFHCKLYFKYAHY-RXMQYKEDSA-N
MW216.67 g/mol
LogP1.28
Rot. Bonds4

About 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine

6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine (PubChem CID 171763680) has the molecular formula C8H13ClN4O and a molecular weight of 216.67 g/mol. Its IUPAC name is 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine.

Molecular Properties

Compound Name6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine
PubChem CID171763680
Molecular FormulaC8H13ClN4O
Molecular Weight216.67 g/mol
Exact Mass216.08
IUPAC Name6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine
SMILESCO[C@H](C)CNc1nnc(Cl)c(C)n1
InChIInChI=1S/C8H13ClN4O/c1-5(14-3)4-10-8-11-6(2)7(9)12-13-8/h5H,4H2,1-3H3,(H,10,11,13)/t5-/m1/s1
InChIKeyLIFHCKLYFKYAHY-RXMQYKEDSA-N
XLogP1.28
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.67
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine?
The IUPAC name of 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine (CID 171763680) is 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine.
What is the SMILES notation for 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine?
The canonical SMILES for 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine is CO[C@H](C)CNc1nnc(Cl)c(C)n1.
What is the InChIKey of 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine?
The InChIKey is LIFHCKLYFKYAHY-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H13ClN4O/c1-5(14-3)4-10-8-11-6(2)7(9)12-13-8/h5H,4H2,1-3H3,(H,10,11,13)/t5-/m1/s1.
What are the key properties of 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine?
6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine has a molecular weight of 216.67 g/mol, XLogP of 1.28, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-[(2R)-2-methoxypropyl]-5-methyl-1,2,4-triazin-3-amine is sourced from PubChem (CID 171763680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).